Merck
CN

359408

Sigma-Aldrich

甲氧基羰基磺酰氯

97%

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别名:
S-氯 O-硫代碳酸甲酯
线性分子式:
CH3OCOSCl
CAS号:
分子量:
126.56
Beilstein:
1849908
EC 号:
MDL编号:
PubChem化学物质编号:
NACRES:
NA.22

检测方案

97%

形式

liquid

折射率

n20/D 1.481 (lit.)

bp

133-134 °C (lit.)

密度

1.399 g/mL at 25 °C (lit.)

储存温度

2-8°C

SMILES string

COC(=O)SCl

InChI

1S/C2H3ClO2S/c1-5-2(4)6-3/h1H3

InChI key

TXJXPZVVSLAQOQ-UHFFFAOYSA-N

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一般描述

Methoxycarbonylsulfenyl chloride is a sulfenyl carbonyl compound. Photoinduced fragmentations of methoxycarbonylsulfenyl chloride is investigated in the gaseous phase by using synchrotron radiation and multicoincidence techniques. The molecular structure and conformational properties of methoxycarbonylsulfenyl chloride is studied in the gas and solid phases by gas electron diffraction, low-temperature X-ray diffraction and vibrational spectroscopy. The anomeric and mesomeric effects in methoxycarbonylsulfenyl chloride is reported.

应用

Methoxycarbonylsulfenyl chloride may be used to prepare 3-[(methoxycarbonyl)dithio]-L-alanine, via reaction with L-cysteine. It is suitable for use in the synthesis of 3-2 pyridinyldithio propanoic acid hydrazide (PDPH), an important heterobifunctional crosslinker widely used in bioconjugate techniques for making macromolecule-drug conjugates.

象形图

FlameCorrosion

警示用语:

Danger

危险声明

危险分类

Flam. Liq. 3 - Skin Corr. 1B

储存分类代码

3 - Flammable liquids

WGK

WGK 3

闪点(°F)

129.2 °F - closed cup

闪点(°C)

54 °C - closed cup

个人防护装备

Faceshields, Gloves, Goggles, type ABEK (EN14387) respirator filter

法规信息

危险化学品

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IR, Raman and SERS spectra of 2-(methoxycarbonylmethylsulfanyl)-3, 5-dinitrobenzene carboxylic acid.
Raj A, et al.
Journal of the Brazilian Chemical Society, 20(3), 549-559 (2009)
Christian Starkenmann et al.
Journal of agricultural and food chemistry, 59(17), 9457-9465 (2011-08-23)
The L-cysteine derivatives (R)-2-amino-3-(methyldisulfanyl)propanoic acid (S-methylthio-L-cysteine), (R)-2-amino-3-(propyldisulfanyl)propanoic acid (S-propylthio-L-cysteine), (R)-2-amino-3-(1-propenyldisulfanyl)propanoic acid (S-(1-propenylthio)-L-cysteine), and (R)-2-amino-3-(2-propenyldisulfanyl)propanoic acid (S-allylthio-L-cysteine) were prepared from 3-[(methoxycarbonyl)dithio]-L-alanine, obtained from the reaction of L-cysteine with methoxycarbonylsulfenyl chloride. The occurrence of these S-(+)-alk(en)ylthio-L-cysteine derivatives in onion (Allium cepa L.)
A SIMPLE AND EFFICIENT SYNTHESIS OF 3-2 PYRIDINYLDITHIO PROPANOIC ACID HYDRAZIDE: A HETEROBIFUNCTIONAL CROSSLINKER.
Saxena R and Manjan MJ.
International Journal of Pharmacy and Pharmaceutical Sciences, 4 (2012)
Mauricio F Erben et al.
The journal of physical chemistry. A, 111(33), 8062-8071 (2007-07-31)
Total ion yield spectra and photoinduced fragmentations following S 2p, Cl 2p, and O 1s inner shell excitations of methoxycarbonylsulfenyl chloride, CH(3)OC(O)SCl, have been studied in the gaseous phase by using synchrotron radiation and multicoincidence techniques, which include photoelectron-photoion coincidence
Mauricio F Erben et al.
Inorganic chemistry, 41(5), 1064-1071 (2002-03-05)
The molecular structure and conformational properties of methoxycarbonylsulfenyl chloride, CH(3)OC(O)SCl, were determinated in the gas and solid phases by gas electron diffraction, low-temperature X-ray diffraction, and vibrational spectroscopy. Furthermore, quantum chemical calculations were performed. Experimental and theoretical methods result in

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